SCHEMBL6086572

SCHEMBL6086572

O=C(O)C(O)[C@H](NSc1ccccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
ALDH1A1 P00352 5/20 0.57
KDM4E B2RXH2 2/20 0.57
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
GAA P10253 3/20 0.50
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 2/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ALPG P10696 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 2/20 0.40
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
PDE7A Q13946 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6086577 1.00 MAPT (0.57) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6085068 0.88 MAPT (0.50) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6085059 0.88 MAPT (0.50) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL1158052 0.78 ALDH1A1 (0.62) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL1158053 0.78 ALDH1A1 (0.62) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL10970028 0.77 MAPT (0.58) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL11756343 0.76 MAPT (0.60) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL7540298 0.75 MAPT (0.81) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL1158293 0.74 MAPT (0.71) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL1158294 0.74 MAPT (0.71) MAPTALDH1A1KDM4EMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053222-B2 Semi-synthetic process for the preparation of N-debenzoylpaclitaxel INDENA S.P.A. (IT) 2006-05-30 US claimed
EP-1495011-B1 A SEMI-SYNTHETIC PROCESS FOR THE PREPARATION OF N DEBENZOYLPACLITAXEL INDENA SPA (IT) 2005-12-28 EP claimed
US-20050049297-A1 Semi-synthetic process for the preparation of N-debenzoylpaclitaxel INDENA S. P. A. (IT) 2005-03-03 US claimed
EP-1495011-A1 A SEMI-SYNTHETIC PROCESS FOR THE PREPARATION OF N DEBENZOYLPACLITAXEL INDENA S.p.A. (IT) 2005-01-12 EP claimed
WO-2003087077-A1 A SEMI-SYNTHETIC PROCESS FOR THE PREPARATION OF N­ DEBENZOYLPACLITAXEL INDENA S.P.A. (IT) 2003-10-23 WO claimed
US-7053222-B2 Semi-synthetic process for the preparation of N-debenzoylpaclitaxel INDENA S.P.A. (IT) 2006-05-30 US disclosed
EP-1495011-B1 A SEMI-SYNTHETIC PROCESS FOR THE PREPARATION OF N DEBENZOYLPACLITAXEL INDENA SPA (IT) 2005-12-28 EP disclosed
US-20050049297-A1 Semi-synthetic process for the preparation of N-debenzoylpaclitaxel INDENA S. P. A. (IT) 2005-03-03 US disclosed
EP-1495011-A1 A SEMI-SYNTHETIC PROCESS FOR THE PREPARATION OF N DEBENZOYLPACLITAXEL INDENA S.p.A. (IT) 2005-01-12 EP disclosed
WO-2003087077-A1 A SEMI-SYNTHETIC PROCESS FOR THE PREPARATION OF N­ DEBENZOYLPACLITAXEL INDENA S.P.A. (IT) 2003-10-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050049297-A1 Semi-synthetic process for the preparation of N-debenzoylpaclitaxel UGT2B7, UGT2B17, CYP3A7 MAPT 1892/4885ALDH1A1 824/4885KDM4E 3544/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.